Identita

Sofosbuvir impurity J

Neuvedené · C22H30FN4O8P

01Identita

Lazychem ID	LC-40132
CAS RN	Neuvedené
PubChem CID	56649065
Molecular formula	C22H30FN4O8P
Molecular weight	528.5 g/mol
IUPAC name	propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
InChIKey	JMTNHBQFZOWQKE-IQWMDFIBSA-N

02Štruktúra a stereochémia

Two-dimensional chemical structure of Sofosbuvir impurity J — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=NC2=O)N)(C)F)O)OC3=CC=CC=C3
InChI	Neuvedené

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.